SCHEMBL2302793

SCHEMBL2302793

CCOC(=O)C=C(c1ccccc1)c1cc(F)c2[nH]cc(C#N)c2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.36
▸ MAPT P10636 8/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ ATM Q13315 1/20 0.35
▸ ALDH1A1 P00352 6/20 0.34
▸ L3MBTL1 Q9Y468 4/20 0.34
▸ TDP1 Q9NUW8 2/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ NPSR1 Q6W5P4 3/20 0.33
▸ GPR55 Q9Y2T6 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ HSD17B10 Q99714 2/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ HTR2A P28223 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2302790 1.00 KDM4E (0.36) KDM4EMAPTKMT2AMEN1ATM
SCHEMBL12427606 1.00 KDM4E (0.36) KDM4EMAPTKMT2AMEN1ATM
SCHEMBL12427126 0.83 MAPT (0.43) KDM4EMAPTKMT2AMEN1ATM
SCHEMBL2302911 0.83 MAPT (0.43) KDM4EMAPTKMT2AMEN1ATM
SCHEMBL2302908 0.83 MAPT (0.43) KDM4EMAPTKMT2AMEN1ATM
SCHEMBL13157402 0.82 MAPT (0.35) KDM4EMAPTKMT2AMEN1ATM
SCHEMBL2301828 0.81 IMPDH2 (0.44) KDM4EMAPTKMT2AMEN1ATM
SCHEMBL2301825 0.81 IMPDH2 (0.44) KDM4EMAPTKMT2AMEN1ATM
SCHEMBL2301508 0.77 CYP2D6 (0.46) KDM4EMAPTKMT2AMEN1ATM
SCHEMBL12427132 0.77 CYP2D6 (0.46) KDM4EMAPTKMT2AMEN1ATM

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2351737-A1 3-Amino-1-arylpropyl indoles and aza-substituted indoles F. Hoffmann-La Roche AG (CH) 2011-08-03 — — EP disclosed
US-7803830-B2 3-amino-1-arylpropyl indoles and AZA-substituted indoles and uses thereof ROCHE PALO ALTO LLC (US) 2010-09-28 — — US disclosed
US-20090099236-A1 3-Amino-1-arylpropyl indoles and AZA-substituted indoles and uses thereof ROCHE PALO ALTO LLC 2009-04-16 — — US disclosed
US-7446118-B2 3-amino-1-arylpropyl indoles and aza-substituted indoles and uses thereof ROCHE PALO ALTO LLC (US) 2008-11-04 — — US disclosed
EP-1960355-A1 3-AMINO-1-ARYLPROPYL INDOLES AND AZA-SUBSTITUTED INDOLES F.HOFFMANN-LA ROCHE AG (CH) 2008-08-27 — — EP disclosed
WO-2007062996-A1 3-AMINO-1-ARYLPROPYL INDOLES AND AZA-SUBSTITUTED INDOLES F. HOFFMANN-LA ROCHE AG (CH) 2007-06-07 — — WO disclosed
US-20070123527-A1 3-Amino-1-arylpropyl indoles and aza-substituted indoles and uses thereof ROCHE PALO ALTO LLC 2007-05-31 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070123527-A1 3-Amino-1-arylpropyl indoles and aza-substituted indoles and uses thereof IDO1, RB1, AHR KDM4E 550/4885MAPT 3825/4885KMT2A 743/4885
US-20090099236-A1 3-Amino-1-arylpropyl indoles and AZA-substituted indoles and uses thereof IDO1, RB1, AHR KDM4E 550/4885MAPT 3825/4885KMT2A 743/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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